Try beta.chemspider
- 8 of 9 defined stereocentres
(1S,2S,5S,6S,7R,8R,9R,12R)-5,12-Diacetoxy-7-(benzoyloxy)-2-hydroxy-2,10,10-trimethyl-6-{[(2-methylbutanoyl)oxy]methyl}-11-oxatricyclo[7.2.1.0~1,6~]dodec-8-yl nicotinate
CCC(C)C(=O)OC[C@@]12[C@H](CC[C@]([C@@]13[C@@H]([C@@H]([C@H]([C@@H]2OC(=O)C4=CC=CC=C4)OC(=O)C5=CN=CC=C5)C(O3)(C)C)OC(=O)C)(C)O)OC(=O)C
InChI=1S/C37H45NO12/c1-8-21(2)31(41)45-20-36-26(46-22(3)39)16-17-35(7,44)37(36)29(47-23(4)40)27(34(5,6)50-37)28(48-33(43)25-15-12-18-38-19-25)30(36)49-32(42)24-13-10-9-11-14-24/h9-15,18-19,21,26-30,44H,8,16-17,20H2,1-7H3/t21?,26-,27+,28+,29+,30-,35-,36-,37-/m0/s1
CXVPVTNJQFABLN-NUHIMWGJSA-N
CSID:8637766, http://www.chemspider.com/Chemical-Structure.8637766.html (accessed 05:25, Jun 1, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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